Geometry & MOs

Info

ID:	186254
PubChem CID:	77412802
Reduced:	NPO5C10H12 (1)
Stoich.:	ABC5D10E12 (1)
Weight, g/mol:	422.172939
ΔH_f, kcal/mol:	-245.21
Dipole, Da:	7.63
IP(EA), eV:	-9.73(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-benzoyloxy-5-hydroxy-2-(3-oxo-5-phenylpent-1-enyl)cyclopentyl]acetic acid

Drug info:

PubChemData

Smile

C1C(NC(C2=CC=CC=C21)P(=O)(O)O)C(=O)O

DOS

IR

Vibrations